1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine

C10H14F3N3O — CID 167085255

IUPAC1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCOCC(C)NCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(6-17-2)14-5-8-3-4-9(16-15-8)10(11,12)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyAMFMAMRMHRDTSG-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.62
Rot. Bonds5

About 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine

1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 167085255) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID167085255
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCOCC(C)NCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(6-17-2)14-5-8-3-4-9(16-15-8)10(11,12)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyAMFMAMRMHRDTSG-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine (CID 167085255) is 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine is COCC(C)NCc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is AMFMAMRMHRDTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(6-17-2)14-5-8-3-4-9(16-15-8)10(11,12)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine?
1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 249.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 167085255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).